UCSF

ZINC20783512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.71 3.41 -47.45 2 8 1 83 384.46 5
Mid Mid (pH 6-8) 0.71 3.36 -46.92 2 8 1 83 384.46 5
Mid Mid (pH 6-8) 0.71 1.03 -12.73 1 8 0 82 383.452 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )